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Introduction to Open Babel
Where to find FAQ (Frequently Asked Questions) on basic understanding of Open Babel, Chemistry Toolbox? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on basic understanding of Open Babel, Chemistry Toolbox. What Is Open Babel, Chemistry Toolbox ...
2020-05-21, 2412🔥, 0💬

CDXML (ChemDraw XML) for Reactions
What Is CDXML file format? CDXML (ChemDraw XML) is the XML version of chemical structure file format used by ChemDraw, developed by CambridgeSoft (acquired by PerkinElmer in 2011). CDXML can be used to store molecule structures and chemical reactions. Example of a CDXML file for a reaction: &lt;...
2024-11-05, 2411🔥, 0💬

Molecule FYI-1002583
Molecule Summary: ID: FYI-1002583 Names: InChIKey: GEPBOQNSKJBXSZ-IBGZPJMESA-N SMILES: O=C3c1ccccc1[C@@H](Nc2cc(F)ccc 2F)N3c4ccc(Cl)cc4Received at FYIcenter.com on: 2023-04-10
2023-04-17, 2411🔥, 0💬

Molecule FYI-1004195
Molecule Summary: ID: FYI-1004195 Names: InChIKey: PFMRYBGKTDMWDZ-UHFFFAOYSA-N SMILES: CCCCCCCCCCCCCCCCCCNCCCN(CCO)CC OReceived at FYIcenter.com on: 2023-08-22
2023-09-10, 2406🔥, 0💬

Molecule FYI-1004175
Molecule Summary: ID: FYI-1004175 Names: InChIKey: AFYJBWIAACOWAS-NOAUXYJWSA-N SMILES: CO/N=C(C(=O)N[C@@H]4C(OCOCC=C2 OC1CC(=O)N1C2C(=O)O)N5C(C(=O)O )=C(CSc3nc(=O)c(O)nn3C)CS[C@H] 45)/c6csc(N)n6Received at FYIcenter.com on: 2023-08-20
2023-08-25, 2406🔥, 0💬

Molecule FYI-1003946
Molecule Summary: ID: FYI-1003946 Names: InChIKey: PYKSBJRVPLSUMR-UHFFFAOYSA-N SMILES: C=CC(=O)OC1CN(C)CCN1C5CCN(c4cc c(Nc3nc(NC2CCOCC2)c(CC)nc3C(N) =O)cc4OC)CC5Received at FYIcenter.com on: 2023-08-07
2023-08-09, 2406🔥, 0💬

Molecule FYI-1006904
Molecule Summary: ID: FYI-1006904 Names: InChIKey: LKCVEORRYWUEAO-UHFFFAOYSA-N SMILES: CC(=O)CCC3C2C=C1C(C)C(=O)OC1(O )CC23CReceived at FYIcenter.com on: 2024-01-22
2024-01-31, 2405🔥, 0💬

Molecule FYI-1005513
Molecule Summary: ID: FYI-1005513 Names: InChIKey: HFUZAEYLQIRRAY-UHFFFAOYSA-N SMILES: C[Si]4(C)CCN(Cc3cc(c1ccc(C(F)( F)F)cc1)n(c2ccc(Cl)cc2)n3)CC4Received at FYIcenter.com on: 2023-11-01
2023-11-09, 2405🔥, 0💬

Molecule FYI-1004412
Molecule Summary: ID: FYI-1004412 Names: InChIKey: KXBBMPIYFWYLLN-CIBNZXDCSA-N SMILES: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1c ccc(OC)c12)[C@H]3CC4[C@H](CO[C @@H]5O[C@H](C(=O)O)[C@@H](O)[C @H](O)[C@H]5O)C(=O)OCReceived at FYIcenter.com on: 2023-09-05
2023-09-16, 2404🔥, 0💬

Molecule FYI-1001956
Molecule Summary: ID: FYI-1001956 SMILES: C1(CC(CC(C1)[Cl])CC(CCC(C)CC2= CC=CC=C2)C)[Cl]Received at FYIcenter.com on: 2023-01-05
2023-01-30, 2404🔥, 0💬

Molecule FYI-1006449
Molecule Summary: ID: FYI-1006449 Names: InChIKey: CTMBRFPMUJCIBA-NOUQSPALSA-M SMILES: CO/[N+](=C\\c2ccc1ccccc1c2)c3c cccc3[S+](Cc4ccccc4)[Ru]ClReceived at FYIcenter.com on: 2023-12-21
2023-12-31, 2403🔥, 0💬

Molecule FYI-1005616
Molecule Summary: ID: FYI-1005616 Names: InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N SMILES: O=c2c1ccccc1[se]n2c3ccccc3 Received at FYIcenter.com on: 2023-11-08
2023-11-13, 2403🔥, 0💬

Molecule FYI-1003822
Molecule Summary: ID: FYI-1003822 Names: InChIKey: XGEWXQPYPMTSBD-UHFFFAOYSA-N SMILES: CC1CCCC24CC3C(CC12C)C3(C)C4 Received at FYIcenter.com on: 2023-07-28
2023-08-09, 2402🔥, 0💬

Molecule FYI-1003516
Molecule Summary: ID: FYI-1003516 Names: InChIKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@ @H]2CC[C@]4(C)[C@@H](O)CC[C@@H ]34Received at FYIcenter.com on: 2023-06-26
2023-07-05, 2402🔥, 0💬

Molecule FYI-1003364
Molecule Summary: ID: FYI-1003364 Names: InChIKey: JLBXCKSMESLGTJ-UHFFFAOYSA-N SMILES: CCOC(O)CC Received at FYIcenter.com on: 2023-06-06
2023-07-01, 2402🔥, 0💬

Molecule FYI-1000293
Molecule Summary: ID: FYI-1000293 SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C( =O)[O-].[Ca+2]Received at FYIcenter.com on: 2021-03-15
2022-05-31, 2401🔥, 0💬

Molecule FYI-1003871
Molecule Summary: ID: FYI-1003871 Names: InChIKey: VDDDTWZBLIFPFE-UHFFFAOYSA-N SMILES: CO[N+](=O)c1cnc(N)s1 Received at FYIcenter.com on: 2023-08-02
2023-08-09, 2400🔥, 0💬

Molecule FYI-1003336
Molecule Summary: ID: FYI-1003336 Names: InChIKey: KQUZVFUUJYDGHG-UHFFFAOYSA-N SMILES: Cc2nc1ccc(OC(F)(F)F)cc1n2c4ccc (C(=O)NC3CC3)s4Received at FYIcenter.com on: 2023-06-01
2023-06-19, 2400🔥, 0💬

Molecule FYI-1006515
Molecule Summary: ID: FYI-1006515 Names: InChIKey: UCYPOAPUDLUXQX-HZJYTTRNSA-N SMILES: CCCCC/C=C\\C\\C=C/CCCCCCCCCCCC (=O)OCC(O)COReceived at FYIcenter.com on: 2023-12-31
2024-01-10, 2399🔥, 0💬

Molecule FYI-1004014
Molecule Summary: ID: FYI-1004014 Names: InChIKey: JRPLIJNANQAYSD-UHFFFAOYSA-N SMILES: c3ccc(CSc2nnc(c1cccnc1)o2)cc3 Received at FYIcenter.com on: 2023-08-08
2023-08-17, 2399🔥, 0💬

Molecule FYI-1003921
Molecule Summary: ID: FYI-1003921 Names: InChIKey: CJLSXKVQAVTCHL-UHFFFAOYSA-N SMILES: CCc4nc(C(N)=O)c(Nc3ccc(N2CCC(N 1CCN(C)C(C(=O)CBr)C1)CC2)c(OC) c3)nc4NC5CCOCC5Received at FYIcenter.com on: 2023-08-04
2023-08-09, 2399🔥, 0💬

Molecule FYI-1014506
Molecule Summary: ID: FYI-1014506 Names: InChIKey: DYIHNVICIWXEFP-WYYJPGQASA-N SMILES: CCCCCCCCCCCCCCCCCC(=O)n4c(=c2c (=O)c1cc(S(=O)(=O)O)ccc1n2C(=O )CCCCCCCCCCCCCCCCC)c(=O)c3cc(S (=O)(=O)O)ccc34Received at FYIcenter.com on: 2025-04-23
2025-05-12, 2398🔥, 0💬

Molecule FYI-1004310
Molecule Summary: ID: FYI-1004310 Names: InChIKey: QCKHLGQHPZOJEN-GQCTYLIASA-N SMILES: O=c2c(/C=C/c1ccc(O)c(O)c1)coc3 cccc(O)c23Received at FYIcenter.com on: 2023-08-29
2023-09-07, 2397🔥, 0💬

Molecule FYI-1003112
Molecule Summary: ID: FYI-1003112 Names: InChIKey: MNSKHEQAGCAKAB-VCHYOVAHSA-N SMILES: COc3ccc(OC)c(/C=N/n1c(S)nnc1c2 ccccc2O)c3Received at FYIcenter.com on: 2023-05-12
2023-06-12, 2396🔥, 0💬

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